2-[[4-(phenylmethyl)piperazin-1-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-benzylpiperazin-1-yl)methylsulfanyl]acetic acid CAS Name: 2-[[4-(phenylmethyl)-1-piperazinyl]methylthio]acetic acid IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-benzylpiperazino)methylthio]acetic acid Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CSCC(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CSCC(=O)O

InChI

InChI=1S/C14H20N2O2S/c17-14(18)11-19-12-16-8-6-15(7-9-16)10-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,18)